Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.42 |
| ▸ | ACACA | Q13085 | 1/20 | 0.42 |
| ▸ | FOLH1 | Q04609 | 4/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 5/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | PSMD14 | O00487 | 2/20 | 0.34 |
| ▸ | PLA2G1B | P04054 | 2/20 | 0.34 |
| ▸ | MMP2 | P08253 | 2/20 | 0.34 |
| ▸ | ATG4B | Q9Y4P1 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL18188061 | 0.88 | THRB (0.48) | ACACBACACAFOLH1THRBPTPN1 | |
| Ethylene Glycol SCHEMBL12493198 | 0.88 | THRB (0.48) | ACACBACACAFOLH1THRBPTPN1 | |
| Ethylene Glycol SCHEMBL14919937 | 0.88 | THRB (0.48) | ACACBACACAFOLH1THRBPTPN1 | |
| Ethylene Glycol SCHEMBL2402471 | 0.88 | THRB (0.48) | ACACBACACAFOLH1THRBPTPN1 | |
| SCHEMBL25211485 | 0.84 | LMNA (0.46) | ACACBACACAFOLH1GPR84THRB | |
| SCHEMBL19859887 | 0.84 | LMNA (0.46) | ACACBACACAFOLH1GPR84THRB | |
| SCHEMBL25211230 | 0.84 | LMNA (0.46) | ACACBACACAFOLH1GPR84THRB | |
| Acetic Acid SCHEMBL6654804 | 0.82 | THRB (0.46) | ACACBACACAGPR84THRBFFAR4 | |
| SCHEMBL3411530 | 0.82 | — | — | |
| Acetic Acid SCHEMBL7070635 | 0.81 | GPR84 (0.46) | ACACBACACAFOLH1GPR84FFAR4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7598092-B2 | Methods, devices, systems and computer program products for stochastic, competitive, force-based analyte detection | TOONE ERIC | 2009-10-06 | — | — | US | disclosed |
| WO-2008051314-A2 | METHODS, DEVICES, SYSTEMS AND COMPUTER PROGRAM PRODUCTS FOR STOCHASTIC, COMPETITIVE, FORCE-BASED ANALYTE DETECTION | DUKE UNIVERSITY (US) | 2008-05-02 | — | — | WO | disclosed |
| US-20080090259-A1 | METHODS, DEVICES, SYSTEMS AND COMPUTER PROGRAM PRODUCTS FOR STOCHASTIC, COMPETITIVE, FORCE-BASED ANALYTE DETECTION | TOONE ERIC | 2008-04-17 | — | — | US | disclosed |